N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine

C10H15ClN2 — CID 58946113

IUPACN-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cn1
InChIInChI=1S/C10H15ClN2/c1-10(2,3)13-7-9-5-4-8(11)6-12-9/h4-6,13H,7H2,1-3H3
InChIKeySJXMSEHFPFWKNC-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.62
Rot. Bonds2

About N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 58946113) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID58946113
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cn1
InChIInChI=1S/C10H15ClN2/c1-10(2,3)13-7-9-5-4-8(11)6-12-9/h4-6,13H,7H2,1-3H3
InChIKeySJXMSEHFPFWKNC-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine (CID 58946113) is N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Cl)cn1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is SJXMSEHFPFWKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-10(2,3)13-7-9-5-4-8(11)6-12-9/h4-6,13H,7H2,1-3H3.
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 198.70 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 58946113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).